2-[12-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]dodecyl]isoindole-1,3-dione

Systemtic Name: 2-[12-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]dodecyl]isoindole-1,3-dione Openeye Name: 2-[12-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)dodecyl]isoindoline-1,3-dione CAS Name: 2-[12-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]dodecyl]isoindole-1,3-dione IUPAC Name: 2-[12-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)dodecyl]isoindole-1,3-dione Traditional Name: 2-[12-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)dodecyl]isoindoline-1,3-quinone Formula: C34H41N4O2+ MolecularWeight: 537.71494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCCCCCCCN4C(=O)C5=CC=CC=C5C4=O)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCCCCCCCN4C(=O)C5=CC=CC=C5C4=O)N

InChI

InChI=1S/C34H40N4O2/c35-34-36(30-22-14-15-23-31(30)38(34)26-27-18-10-9-11-19-27)24-16-7-5-3-1-2-4-6-8-17-25-37-32(39)28-20-12-13-21-29(28)33(37)40/h9-15,18-23,35H,1-8,16-17,24-26H2/p+1